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cond-mat.mtrl-sci2026
First-Principles Investigation of the Al-V Phase Diagram
AKM Sadman Mahmud, Hassan Albuhairan, Marek Mihalkovic +1
The Al-V alloy system contains a number of phases including several with complex structures and at least two exhibiting sites of partial occupation. Through electronic density func…
cond-mat.mtrl-sci2025
First-Principles Thermodynamics of AlV: An Analytical Treatment of Localized Anharmonic Modes
Hassan Y. Albuhairan, Marek Mihalkovič, Michael Widom
Many complex intermetallic structures possess cage-like environments that can host additional guest atoms. In AlV, these atoms give rise to low-frequency, localized vibratio…